#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yya s ARG 2 N 0.00 4.52 0.13 0.03 0.52 -1.26 -5.00 118.95 117.88 1yya s ARG 2 Ca 0.00 1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 56.10 1yya s ARG 2 Cb 0.00 -3.45 -0.08 0.00 0.52 0.00 0.00 34.95 31.94 1yya s ARG 2 CO 0.00 0.02 1.37 0.50 0.02 0.00 0.00 175.30 177.20 1yya s ARG 3 N 0.85 4.34 0.46 3.54 3.52 -1.26 -4.97 118.95 125.42 1yya s ARG 3 Ca 0.46 2.06 -0.24 0.00 -0.13 0.00 0.00 55.73 57.89 1yya s ARG 3 Cb -0.20 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1yya s ARG 3 CO 0.24 -0.40 1.23 0.08 -0.81 0.00 0.00 175.30 175.64 1yya s VAL 4 N 0.90 2.83 -0.08 7.11 1.01 -1.26 -4.88 120.40 126.03 1yya s VAL 4 Ca 0.63 0.66 0.01 0.00 0.00 0.00 0.00 61.98 63.28 1yya s VAL 4 Cb -0.37 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1yya s VAL 4 CO 0.32 0.02 -0.10 -0.22 0.00 0.00 0.00 175.10 175.12 1yya s LEU 5 N -2.92 1.45 -0.32 3.92 2.96 -0.67 -0.39 118.68 122.72 1yya s LEU 5 Ca 0.63 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1yya s LEU 5 Cb -0.33 -0.81 0.07 0.00 0.50 0.00 0.00 46.19 45.62 1yya s LEU 5 CO 0.40 -0.03 0.04 -0.69 -1.32 0.00 0.00 176.35 174.75 1yya s VAL 6 N 1.07 2.95 -0.20 1.68 1.01 0.18 -1.53 120.40 125.56 1yya s VAL 6 Ca -0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 1yya s VAL 6 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1yya s VAL 6 CO -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 175.10 174.80 1yya s ALA 7 N 1.19 2.90 -0.39 5.51 0.00 -0.47 -1.55 121.76 128.95 1yya s ALA 7 Ca -0.01 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 1yya s ALA 7 Cb -0.20 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1yya s ALA 7 CO -0.02 -0.20 0.42 0.20 0.00 0.00 0.00 175.76 176.15 1yya s GLY 8 N 1.10 1.89 -0.61 0.00 0.00 0.09 -0.26 107.32 109.54 1yya s GLY 8 Ca 0.02 -1.40 -0.20 0.00 0.00 0.00 0.00 44.72 43.13 1yya s GLY 8 CO 0.00 1.12 0.78 0.21 0.00 0.00 0.00 173.10 175.21 1yya s ASN 9 N 1.78 6.18 0.29 1.64 2.47 0.15 0.04 114.94 127.49 1yya s ASN 9 Ca 0.12 -1.30 0.25 0.00 0.42 0.00 0.00 52.86 52.35 1yya s ASN 9 Cb -0.17 -2.34 1.03 0.00 -1.45 0.00 0.00 41.25 38.32 1yya s ASN 9 CO 0.13 -1.21 1.74 -0.50 -3.72 0.00 0.00 177.10 173.54 1yya h TRP 10 N 9.30 0.00 0.00 0.43 6.55 -1.75 -3.39 115.95 127.09 1yya h TRP 10 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1yya h TRP 10 Cb 1.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 1yya h TRP 10 CO 0.87 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.89 1yya n LYS 11 N -2.34 0.00 -3.08 0.49 5.02 -1.26 -3.64 118.16 113.35 1yya n LYS 11 Ca 0.02 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 1yya n LYS 11 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1yya n LYS 11 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1yya n MET 12 N 6.84 3.50 -3.94 1.97 1.56 -1.26 -4.35 117.12 121.44 1yya n MET 12 Ca 0.00 -4.11 -0.09 0.00 -0.27 0.00 0.00 57.70 53.23 1yya n MET 12 Cb 0.00 -2.81 -0.09 0.00 2.15 0.00 0.00 33.22 32.46 1yya n MET 12 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1yya s HIS 13 N 0.17 0.23 0.27 1.12 3.76 -1.24 -5.14 115.29 114.45 1yya s HIS 13 Ca 0.37 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1yya s HIS 13 Cb -0.05 -0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1yya s HIS 13 CO -0.03 -0.36 0.00 1.63 -0.85 0.00 0.00 174.74 175.13 1yya n LYS 14 N 0.73 -1.63 -4.47 1.40 5.02 -1.26 -4.78 118.16 113.17 1yya n LYS 14 Ca -0.19 1.24 -0.23 0.00 -2.02 0.00 0.00 58.31 57.12 1yya n LYS 14 Cb 0.59 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 1yya n LYS 14 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yya s THR 15 N -2.88 1.77 0.25 -0.18 -4.23 -1.26 -5.00 115.64 104.11 1yya s THR 15 Ca 0.00 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.35 1yya s THR 15 Cb 0.00 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.51 1yya s THR 15 CO 0.00 -0.23 1.84 -0.65 -0.54 0.00 0.00 174.62 175.04 1yya h PRO 16 N 2.17 0.92 -0.60 3.99 0.11 -1.96 0.97 132.00 137.60 1yya h PRO 16 Ca -0.41 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1yya h PRO 16 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1yya h PRO 16 CO 0.69 0.61 0.02 0.66 -0.21 0.00 0.00 178.00 179.78 1yya h SER 17 N 0.95 1.01 -0.07 -2.05 4.64 -1.97 -1.41 113.55 114.64 1yya h SER 17 Ca 0.41 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 1yya h SER 17 Cb 0.29 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1yya h SER 17 CO -0.21 1.04 -0.42 -0.33 -0.87 0.00 0.00 176.83 176.04 1yya h GLU 18 N 0.95 0.60 -0.34 4.77 5.08 -1.79 -3.07 114.58 120.79 1yya h GLU 18 Ca 0.18 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1yya h GLU 18 Cb 0.52 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1yya h GLU 18 CO 0.02 0.91 -0.17 0.00 -1.00 0.00 0.00 179.01 178.78 1yya h ALA 19 N 1.05 1.07 -0.50 3.43 0.00 -0.56 -2.19 119.26 121.56 1yya h ALA 19 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1yya h ALA 19 Cb 0.93 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1yya h ALA 19 CO 0.08 0.57 0.24 -0.09 0.00 0.00 0.00 179.25 180.05 1yya h ARG 20 N 0.56 0.46 -0.14 0.00 2.43 -1.16 0.20 114.38 116.73 1yya h ARG 20 Ca 0.09 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1yya h ARG 20 Cb 0.61 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1yya h ARG 20 CO 0.04 0.30 0.05 0.28 -1.51 0.00 0.00 179.97 179.13 1yya h VAL 21 N 0.47 1.17 -0.15 0.20 2.07 -1.51 -1.84 116.25 116.66 1yya h VAL 21 Ca 0.23 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1yya h VAL 21 Cb 0.15 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1yya h VAL 21 CO -0.17 0.16 0.00 -0.25 0.02 0.00 0.00 177.57 177.33 1yya h TRP 22 N 0.04 -0.01 -0.82 1.57 7.01 -0.94 -0.51 115.95 122.30 1yya h TRP 22 Ca 0.04 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 1yya h TRP 22 Cb 0.20 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 1yya h TRP 22 CO -0.01 -0.02 0.35 0.74 -2.79 0.00 0.00 178.44 176.72 1yya h PHE 23 N 0.05 1.23 -0.34 2.65 0.04 -0.58 -0.61 116.94 119.37 1yya h PHE 23 Ca 0.07 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1yya h PHE 23 Cb 0.09 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1yya h PHE 23 CO -0.15 0.91 -0.21 0.00 -0.60 0.00 0.00 178.31 178.25 1yya h ALA 24 N 1.19 0.99 -0.37 2.45 0.00 -1.00 -0.51 119.26 122.00 1yya h ALA 24 Ca 0.28 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1yya h ALA 24 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1yya h ALA 24 CO -0.03 0.60 -0.31 0.93 0.00 0.00 0.00 179.25 180.44 1yya h GLU 25 N 0.58 0.87 -0.65 0.00 5.08 -0.76 -2.02 114.58 117.67 1yya h GLU 25 Ca 0.09 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1yya h GLU 25 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1yya h GLU 25 CO 0.05 1.08 0.40 1.25 -1.00 0.00 0.00 179.01 180.79 1yya h LEU 26 N 0.67 0.78 -0.66 1.33 5.85 -0.82 -0.49 115.31 121.97 1yya h LEU 26 Ca 0.07 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1yya h LEU 26 Cb 0.89 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1yya h LEU 26 CO 0.08 0.60 0.43 0.50 -0.34 0.00 0.00 178.44 179.72 1yya h LYS 27 N 0.88 0.87 -0.07 1.25 3.64 -0.95 0.61 116.57 122.80 1yya h LYS 27 Ca 0.23 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.37 1yya h LYS 27 Cb -0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1yya h LYS 27 CO -0.04 0.58 -0.74 -0.09 -2.27 0.00 0.00 179.45 176.89 1yya h ARG 28 N 0.90 0.40 0.00 1.90 2.43 -1.00 -3.29 114.38 115.71 1yya h ARG 28 Ca 0.24 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1yya h ARG 28 Cb -0.09 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1yya h ARG 28 CO -0.05 0.97 -0.62 1.28 -1.51 0.00 0.00 179.97 180.04 1yya n LEU 29 N -3.83 0.58 -4.64 3.80 4.77 -0.22 -4.93 117.00 112.53 1yya n LEU 29 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1yya n LEU 29 Cb 0.71 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1yya n LEU 29 CO 0.48 0.09 1.58 -0.22 -1.33 0.00 0.00 177.39 177.99 1yya s LEU 30 N -3.32 4.05 0.59 2.23 2.96 0.19 -5.00 118.68 120.39 1yya s LEU 30 Ca 0.09 2.17 -0.08 0.00 -0.22 0.00 0.00 54.13 56.10 1yya s LEU 30 Cb 0.16 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1yya s LEU 30 CO 0.73 -1.31 0.93 -2.16 -1.32 0.00 0.00 176.35 173.22 1yya s PRO 31 N 4.92 3.17 0.12 0.98 0.04 -1.26 -4.99 135.00 137.98 1yya s PRO 31 Ca 0.85 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 1yya s PRO 31 Cb -0.35 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 1yya s PRO 31 CO 0.35 -0.63 1.51 -1.25 0.04 0.00 0.00 177.00 177.03 1yya s PRO 32 N -5.03 4.25 0.09 0.56 0.04 -1.26 -5.00 135.00 128.65 1yya s PRO 32 Ca 0.53 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.84 1yya s PRO 32 Cb -0.11 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1yya s PRO 32 CO 0.48 -0.57 -0.10 -0.51 0.04 0.00 0.00 177.00 176.34 1yya s LEU 33 N 1.43 2.37 -0.03 -3.56 1.43 -1.26 -5.05 118.68 114.01 1yya s LEU 33 Ca 0.68 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 1yya s LEU 33 Cb -0.40 -0.32 -0.32 0.00 0.03 0.00 0.00 46.19 45.18 1yya s LEU 33 CO 0.31 -0.23 0.77 1.56 0.23 0.00 0.00 176.35 178.99 1yya h GLN 34 N 3.78 0.41 -7.31 1.70 1.08 -1.87 -3.47 115.11 109.43 1yya h GLN 34 Ca -0.38 -0.71 -0.44 0.00 -1.45 0.00 0.00 58.65 55.67 1yya h GLN 34 Cb 1.19 0.26 0.17 0.00 -0.05 0.00 0.00 27.48 29.06 1yya h GLN 34 CO 0.50 1.34 0.14 -1.12 -0.95 0.00 0.00 178.83 178.74 1yya s SER 35 N -7.32 2.04 -0.13 1.46 0.01 0.15 -4.88 113.70 105.03 1yya s SER 35 Ca -0.14 1.19 -0.05 0.00 1.31 0.00 0.00 55.95 58.26 1yya s SER 35 Cb 0.04 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1yya s SER 35 CO 0.87 -3.49 0.04 -0.70 0.41 0.00 0.00 173.24 170.36 1yya s GLU 36 N -4.88 3.48 0.02 12.44 2.12 0.48 -5.00 118.70 127.35 1yya s GLU 36 Ca 0.66 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 55.69 1yya s GLU 36 Cb -0.19 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1yya s GLU 36 CO 0.59 0.51 -0.15 0.00 -0.54 0.00 0.00 175.26 175.67 1yya s ALA 37 N -0.33 2.68 -0.09 6.30 0.00 -1.26 -0.65 121.76 128.41 1yya s ALA 37 Ca 0.08 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1yya s ALA 37 Cb -0.12 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1yya s ALA 37 CO 0.02 0.58 0.37 0.00 0.00 0.00 0.00 175.76 176.73 1yya s ALA 38 N -0.90 -0.93 -0.06 0.00 0.00 -0.60 -1.07 121.76 118.21 1yya s ALA 38 Ca 0.14 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.99 1yya s ALA 38 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1yya s ALA 38 CO 0.05 -0.22 -0.24 0.08 0.00 0.00 0.00 175.76 175.43 1yya s VAL 39 N -0.41 2.16 -0.60 0.00 1.01 -0.60 -0.73 120.40 121.23 1yya s VAL 39 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1yya s VAL 39 Cb -0.03 -1.79 0.15 0.00 0.00 0.00 0.00 36.38 34.70 1yya s VAL 39 CO 0.02 0.57 0.37 -0.76 0.00 0.00 0.00 175.10 175.30 1yya s LEU 40 N -0.16 4.63 0.70 3.92 1.43 0.11 -1.90 118.68 127.41 1yya s LEU 40 Ca -0.03 -3.25 -0.04 0.00 -1.03 0.00 0.00 54.13 49.78 1yya s LEU 40 Cb -0.14 -1.68 0.09 0.00 0.03 0.00 0.00 46.19 44.49 1yya s LEU 40 CO 0.04 -0.21 0.98 -2.16 0.23 0.00 0.00 176.35 175.23 1yya s PRO 41 N -0.62 1.98 0.70 1.29 0.04 -1.23 -2.58 135.00 134.58 1yya s PRO 41 Ca 0.20 -0.64 -0.15 0.00 0.04 0.00 0.00 61.00 60.44 1yya s PRO 41 Cb -0.19 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1yya s PRO 41 CO -0.05 -1.28 1.18 0.00 0.04 0.00 0.00 177.00 176.88 1yya s ALA 42 N -3.16 2.24 0.24 8.56 0.00 -1.26 -4.32 121.76 124.06 1yya s ALA 42 Ca 0.63 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.22 1yya s ALA 42 Cb -0.08 -3.42 0.29 0.00 0.00 0.00 0.00 23.12 19.90 1yya s ALA 42 CO 0.44 -1.66 1.56 0.74 0.00 0.00 0.00 175.76 176.84 1yya h PHE 43 N -0.13 -0.89 0.00 0.00 0.04 -1.96 -0.33 116.94 113.67 1yya h PHE 43 Ca -0.48 0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1yya h PHE 43 Cb 1.28 0.53 0.00 0.00 2.20 0.00 0.00 35.95 39.96 1yya h PHE 43 CO 0.49 -0.40 0.00 -0.35 -0.60 0.00 0.00 178.31 177.45 1yya n PRO 44 N -5.51 0.12 0.02 1.51 -0.04 -1.26 -1.83 135.00 128.01 1yya n PRO 44 Ca 0.11 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 1yya n PRO 44 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1yya n PRO 44 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1yya n ILE 45 N -1.32 0.12 -0.30 0.52 5.41 -0.14 -4.36 119.36 119.29 1yya n ILE 45 Ca 0.05 -0.19 0.03 0.00 1.00 0.00 0.00 62.75 63.63 1yya n ILE 45 Cb 0.09 0.32 0.23 0.00 -0.71 0.00 0.00 39.64 39.56 1yya n ILE 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1yya h LEU 46 N 0.00 0.93 -0.72 1.39 3.38 -1.37 -2.21 115.31 116.71 1yya h LEU 46 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1yya h LEU 46 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1yya h LEU 46 CO 0.00 0.61 0.43 -0.65 0.09 0.00 0.00 178.44 178.92 1yya h PRO 47 N 1.06 0.99 0.00 1.13 0.11 -1.78 -1.09 132.00 132.42 1yya h PRO 47 Ca 0.38 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 1yya h PRO 47 Cb 0.13 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1yya h PRO 47 CO -0.13 0.70 -0.38 -0.24 -0.21 0.00 0.00 178.00 177.74 1yya h VAL 48 N 0.99 0.92 -0.36 3.15 3.04 -1.78 -1.05 116.25 121.16 1yya h VAL 48 Ca 0.26 -1.52 -0.04 0.00 -1.01 0.00 0.00 66.70 64.38 1yya h VAL 48 Cb -0.02 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1yya h VAL 48 CO -0.05 0.38 0.07 0.00 -1.01 0.00 0.00 177.57 176.96 1yya h ALA 49 N 1.62 0.48 -0.42 3.17 0.00 -0.78 -0.54 119.26 122.78 1yya h ALA 49 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1yya h ALA 49 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1yya h ALA 49 CO 0.05 0.17 0.22 -0.22 0.00 0.00 0.00 179.25 179.47 1yya h LYS 50 N 0.44 0.59 0.20 0.00 3.64 -0.84 0.89 116.57 121.49 1yya h LYS 50 Ca 0.11 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1yya h LYS 50 Cb 0.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1yya h LYS 50 CO 0.00 0.49 -0.10 1.49 -2.27 0.00 0.00 179.45 179.06 1yya h GLU 51 N 0.54 -0.26 0.20 1.90 4.81 -0.95 -1.72 114.58 119.10 1yya h GLU 51 Ca 0.15 0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.09 1yya h GLU 51 Cb 0.07 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.54 1yya h GLU 51 CO -0.02 -0.18 -1.37 0.28 -0.73 0.00 0.00 179.01 176.99 1yya h VAL 52 N -0.27 1.38 -0.01 0.32 2.07 -1.08 -3.36 116.25 115.29 1yya h VAL 52 Ca -0.03 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.62 1yya h VAL 52 Cb 0.21 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1yya h VAL 52 CO 0.04 0.85 -0.35 0.18 0.02 0.00 0.00 177.57 178.31 1yya n LEU 53 N -3.63 1.38 -0.24 2.57 4.77 0.30 -4.59 117.00 117.56 1yya n LEU 53 Ca -0.13 -0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 55.30 1yya n LEU 53 Cb 1.07 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.99 1yya n LEU 53 CO 0.58 0.26 0.49 0.00 -1.33 0.00 0.00 177.39 177.39 1yya h ALA 54 N 3.74 -0.63 0.00 -1.18 0.00 -1.43 -1.62 119.26 118.15 1yya h ALA 54 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yya h ALA 54 Cb 0.60 1.20 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1yya h ALA 54 CO 0.00 -0.93 0.00 -0.85 0.00 0.00 0.00 179.25 177.47 1yya n GLU 55 N -5.07 0.98 -2.91 0.00 0.28 -1.26 -4.89 120.64 107.76 1yya n GLU 55 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.78 1yya n GLU 55 Cb 0.27 -1.44 0.07 0.00 1.43 0.00 0.00 31.44 31.78 1yya n GLU 55 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1yya s THR 56 N -2.00 2.16 -1.54 3.84 -4.23 -0.61 -5.00 115.64 108.26 1yya s THR 56 Ca 0.41 -0.89 0.29 0.00 -1.18 0.00 0.00 61.69 60.32 1yya s THR 56 Cb 0.19 -2.27 0.41 0.00 1.34 0.00 0.00 72.50 72.17 1yya s THR 56 CO 0.32 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.24 1yya n GLN 57 N -2.40 0.57 -3.15 3.99 1.13 -1.26 -4.82 117.38 111.43 1yya n GLN 57 Ca 0.15 -0.19 -0.39 0.00 -1.94 0.00 0.00 57.00 54.63 1yya n GLN 57 Cb 0.61 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.41 1yya n GLN 57 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1yya s VAL 58 N -2.56 5.08 0.60 5.09 1.01 -1.26 -4.52 120.40 123.84 1yya s VAL 58 Ca 0.26 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.49 1yya s VAL 58 Cb 0.20 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1yya s VAL 58 CO 0.49 0.22 0.83 -0.83 0.00 0.00 0.00 175.10 175.81 1yya s GLY 59 N 0.91 1.78 0.22 4.51 0.00 -0.23 -4.79 107.32 109.72 1yya s GLY 59 Ca 0.31 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.05 1yya s GLY 59 CO 0.13 -1.42 0.40 -2.52 0.00 0.00 0.00 173.10 169.69 1yya s TYR 60 N -2.79 0.41 0.15 1.90 1.13 -1.26 -1.56 117.35 115.33 1yya s TYR 60 Ca 0.62 -0.75 -0.23 0.00 -1.41 0.00 0.00 57.07 55.29 1yya s TYR 60 Cb -0.07 0.08 0.08 0.00 -1.10 0.00 0.00 41.96 40.95 1yya s TYR 60 CO 0.40 -0.89 1.07 0.20 -2.51 0.00 0.00 175.55 173.82 1yya s GLY 61 N -3.01 0.05 0.50 5.49 0.00 -0.80 -1.05 107.32 108.51 1yya s GLY 61 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.71 1yya s GLY 61 CO 0.06 2.68 0.71 0.00 0.00 0.00 0.00 173.10 176.55 1yya s ALA 62 N -2.21 3.93 -2.08 3.20 0.00 -0.68 -3.52 121.76 120.41 1yya s ALA 62 Ca 0.22 -1.29 0.22 0.00 0.00 0.00 0.00 51.96 51.11 1yya s ALA 62 Cb -0.02 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.07 1yya s ALA 62 CO 0.04 -0.57 1.08 1.04 0.00 0.00 0.00 175.76 177.35 1yya n GLN 63 N -2.20 1.38 -3.78 0.00 6.02 -1.26 -0.79 117.38 116.74 1yya n GLN 63 Ca 0.06 -1.08 -0.01 0.00 -0.01 0.00 0.00 57.00 55.95 1yya n GLN 63 Cb 0.59 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1yya n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1yya s ASP 64 N -2.35 -0.07 -0.07 1.08 2.15 -1.19 -4.43 116.67 111.78 1yya s ASP 64 Ca 0.19 -0.40 -0.29 0.00 0.43 0.00 0.00 52.55 52.47 1yya s ASP 64 Cb 0.18 0.38 0.11 0.00 -0.30 0.00 0.00 42.92 43.28 1yya s ASP 64 CO 0.52 -0.72 0.89 0.54 -0.17 0.00 0.00 175.17 176.23 1yya s VAL 65 N -2.61 0.00 0.58 1.11 0.11 -1.26 -4.81 120.40 113.52 1yya s VAL 65 Ca 0.17 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 1yya s VAL 65 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1yya s VAL 65 CO 0.01 0.00 1.11 -0.55 -3.33 0.00 0.00 175.10 172.35 1yya s SER 66 N -1.76 5.56 0.00 3.54 0.15 0.38 -4.89 113.70 116.67 1yya s SER 66 Ca -0.00 2.08 0.28 0.00 0.70 0.00 0.00 55.95 59.01 1yya s SER 66 Cb -0.01 -2.57 1.12 0.00 -1.71 0.00 0.00 66.02 62.86 1yya s SER 66 CO -0.02 -1.33 1.80 0.00 1.20 0.00 0.00 173.24 174.89 1yya n ALA 67 N -1.70 2.82 -2.70 5.45 0.00 -1.26 -4.63 120.51 118.49 1yya n ALA 67 Ca 0.11 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 1yya n ALA 67 Cb 0.51 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1yya n ALA 67 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yya s HIS 68 N -2.48 2.93 0.09 0.00 3.76 -1.26 -4.68 115.29 113.65 1yya s HIS 68 Ca 0.28 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 1yya s HIS 68 Cb 0.20 -1.42 -0.18 0.00 1.11 0.00 0.00 32.58 32.29 1yya s HIS 68 CO 0.48 0.52 1.24 0.87 -0.85 0.00 0.00 174.74 177.00 1yya h LYS 69 N 2.60 0.65 -1.67 1.40 1.57 -1.99 -3.42 116.57 115.70 1yya h LYS 69 Ca -0.47 -0.67 0.25 0.00 -1.87 0.00 0.00 60.65 57.89 1yya h LYS 69 Cb 1.20 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 33.55 1yya h LYS 69 CO 0.60 1.26 0.74 -1.83 -0.57 0.00 0.00 179.45 179.65 1yya s GLU 70 N -3.37 0.51 0.00 3.15 4.04 -1.26 -4.70 118.70 117.07 1yya s GLU 70 Ca -0.09 -0.24 0.00 0.00 0.04 0.00 0.00 54.97 54.68 1yya s GLU 70 Cb 0.08 0.20 0.00 0.00 0.02 0.00 0.00 34.13 34.43 1yya s GLU 70 CO 0.91 -0.23 0.00 0.41 -1.84 0.00 0.00 175.26 174.51 1yya n GLY 71 N -0.30 0.98 2.93 -3.83 0.00 -1.26 -4.95 105.19 98.76 1yya n GLY 71 Ca -0.05 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1yya n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yya n ALA 72 N -1.00 5.09 -3.36 4.61 0.00 -1.26 -4.72 120.51 119.87 1yya n ALA 72 Ca 0.00 -3.93 -0.26 0.00 0.00 0.00 0.00 53.44 49.25 1yya n ALA 72 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 19.45 15.89 1yya n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yya n TYR 73 N 6.31 1.22 -1.59 0.00 4.02 -1.26 -5.10 117.16 120.75 1yya n TYR 73 Ca 0.50 -3.79 -0.53 0.00 -0.01 0.00 0.00 57.90 54.06 1yya n TYR 73 Cb 0.40 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1yya n TYR 73 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1yya n THR 74 N 1.46 0.03 0.00 -0.72 -1.04 -1.26 -1.36 114.28 111.38 1yya n THR 74 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1yya n THR 74 Cb 0.47 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1yya n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yya n GLY 75 N 2.58 2.71 3.87 3.41 0.00 -1.26 -5.05 105.19 111.45 1yya n GLY 75 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1yya n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yya s GLU 76 N -0.58 3.85 -0.13 1.61 2.02 -0.47 -5.08 118.70 119.92 1yya s GLU 76 Ca 0.00 0.44 -0.00 0.00 0.02 0.00 0.00 54.97 55.42 1yya s GLU 76 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 1yya s GLU 76 CO 0.00 0.16 -0.13 0.08 0.02 0.00 0.00 175.26 175.39 1yya s VAL 77 N -2.04 2.97 0.46 2.63 1.01 -1.26 -4.98 120.40 119.19 1yya s VAL 77 Ca 0.50 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1yya s VAL 77 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1yya s VAL 77 CO 0.23 0.52 0.78 -0.94 0.00 0.00 0.00 175.10 175.69 1yya s SER 78 N 0.45 6.32 0.40 3.32 1.04 -1.26 -0.47 113.70 123.49 1yya s SER 78 Ca -0.10 0.97 0.10 0.00 0.48 0.00 0.00 55.95 57.39 1yya s SER 78 Cb -0.16 -2.26 0.82 0.00 0.10 0.00 0.00 66.02 64.52 1yya s SER 78 CO 0.05 -0.53 1.94 0.00 0.98 0.00 0.00 173.24 175.68 1yya h ALA 79 N 0.48 1.55 -0.34 5.32 0.00 -1.84 -1.89 119.26 122.54 1yya h ALA 79 Ca -0.47 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 1yya h ALA 79 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1yya h ALA 79 CO 0.62 0.33 -0.09 -0.09 0.00 0.00 0.00 179.25 180.02 1yya h ARG 80 N 0.23 0.58 -0.46 0.00 2.43 -1.90 0.14 114.38 115.40 1yya h ARG 80 Ca 0.05 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1yya h ARG 80 Cb 0.33 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1yya h ARG 80 CO 0.02 0.66 0.03 0.52 -1.51 0.00 0.00 179.97 179.69 1yya h MET 81 N 0.54 0.79 -0.38 0.20 2.86 -1.74 -0.82 114.93 116.37 1yya h MET 81 Ca 0.10 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1yya h MET 81 Cb 0.48 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1yya h MET 81 CO 0.03 0.83 -0.15 -0.07 1.06 0.00 0.00 176.91 178.61 1yya h LEU 82 N 0.65 0.69 -0.53 1.22 3.38 -0.93 -2.75 115.31 117.03 1yya h LEU 82 Ca 0.13 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1yya h LEU 82 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1yya h LEU 82 CO 0.02 0.85 -0.05 -1.28 0.09 0.00 0.00 178.44 178.07 1yya h SER 83 N 0.63 0.96 -0.21 -0.43 0.87 -0.50 -2.14 113.55 112.73 1yya h SER 83 Ca 0.10 -0.33 0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1yya h SER 83 Cb 0.61 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1yya h SER 83 CO 0.04 1.06 0.14 -0.78 -0.53 0.00 0.00 176.83 176.76 1yya h ASP 84 N 0.84 0.13 0.01 6.23 3.58 -0.89 -0.66 116.42 125.65 1yya h ASP 84 Ca 0.14 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1yya h ASP 84 Cb 0.59 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1yya h ASP 84 CO 0.04 0.09 -0.01 0.18 -2.88 0.00 0.00 179.24 176.66 1yya n LEU 85 N -4.50 1.14 -0.50 2.28 4.77 -0.96 -4.94 117.00 114.29 1yya n LEU 85 Ca 0.01 -0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 55.57 1yya n LEU 85 Cb 0.18 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1yya n LEU 85 CO 0.35 0.19 -0.06 0.61 -1.33 0.00 0.00 177.39 177.15 1yya n GLY 86 N 1.15 0.46 3.73 -0.72 0.00 -0.25 -4.71 105.19 104.85 1yya n GLY 86 Ca 0.20 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1yya n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yya n ARG 88 N 2.96 0.63 -4.28 0.00 1.74 -0.21 -4.75 116.66 112.74 1yya n ARG 88 Ca 0.09 0.26 -0.15 0.00 -0.77 0.00 0.00 57.85 57.28 1yya n ARG 88 Cb 0.40 -1.79 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1yya n ARG 88 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1yya s TYR 89 N -2.73 1.42 -0.29 -1.55 1.51 -1.19 -1.13 117.35 113.39 1yya s TYR 89 Ca -0.04 -1.25 -0.15 0.00 -1.01 0.00 0.00 57.07 54.63 1yya s TYR 89 Cb 0.08 -0.79 0.11 0.00 -0.11 0.00 0.00 41.96 41.25 1yya s TYR 89 CO 0.82 -0.44 0.74 0.00 -1.11 0.00 0.00 175.55 175.57 1yya s ALA 90 N -3.88 -2.02 0.26 3.71 0.00 -1.00 -1.68 121.76 117.14 1yya s ALA 90 Ca 0.38 2.36 -0.30 0.00 0.00 0.00 0.00 51.96 54.40 1yya s ALA 90 Cb 0.08 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 1yya s ALA 90 CO 0.13 -0.53 1.09 0.42 0.00 0.00 0.00 175.76 176.87 1yya s ILE 91 N 1.92 3.60 -0.01 0.00 1.01 0.03 -1.14 121.20 126.61 1yya s ILE 91 Ca -0.09 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1yya s ILE 91 Cb -0.06 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1yya s ILE 91 CO -0.19 0.36 -0.05 0.68 0.00 0.00 0.00 174.94 175.74 1yya s VAL 92 N -1.00 0.44 -0.59 2.92 -7.23 -0.63 -3.19 120.40 111.13 1yya s VAL 92 Ca 0.45 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1yya s VAL 92 Cb -0.31 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1yya s VAL 92 CO 0.39 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 1yya n GLY 93 N 3.26 0.47 3.72 2.32 0.00 -1.26 -1.90 105.19 111.79 1yya n GLY 93 Ca -0.17 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1yya n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yya n HIS 94 N -3.43 2.26 -0.18 1.61 -0.00 -1.26 -4.37 115.22 109.84 1yya n HIS 94 Ca -0.07 0.48 0.18 0.00 -0.00 0.00 0.00 57.72 58.32 1yya n HIS 94 Cb 0.39 -2.39 0.54 0.00 -0.00 0.00 0.00 29.99 28.52 1yya n HIS 94 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1yya h SER 95 N 2.10 0.34 -0.32 0.26 4.64 -1.94 0.08 113.55 118.72 1yya h SER 95 Ca -0.49 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 1yya h SER 95 Cb 1.29 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1yya h SER 95 CO 0.60 0.16 0.06 -0.33 -0.87 0.00 0.00 176.83 176.45 1yya h GLU 96 N 0.35 0.62 0.05 4.77 5.08 -1.99 -0.82 114.58 122.65 1yya h GLU 96 Ca 0.40 -0.12 -0.24 0.00 -1.00 0.00 0.00 59.36 58.39 1yya h GLU 96 Cb 1.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1yya h GLU 96 CO -0.12 0.60 -1.17 0.00 -1.00 0.00 0.00 179.01 177.32 1yya h ARG 97 N 0.60 0.11 -0.33 2.33 3.08 -1.36 0.96 114.38 119.77 1yya h ARG 97 Ca 0.13 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1yya h ARG 97 Cb 0.29 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1yya h ARG 97 CO 0.00 1.05 -0.07 0.00 -1.07 0.00 0.00 179.97 179.88 1yya h ARG 98 N 0.03 0.54 0.00 0.04 3.08 -0.95 -0.75 114.38 116.37 1yya h ARG 98 Ca -0.09 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1yya h ARG 98 Cb 1.87 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1yya h ARG 98 CO 0.15 0.62 -0.17 0.00 -1.07 0.00 0.00 179.97 179.50 1yya h ARG 99 N 0.50 0.00 0.00 0.04 3.08 -1.14 -2.91 114.38 113.95 1yya h ARG 99 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1yya h ARG 99 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1yya h ARG 99 CO 0.02 0.00 -0.22 1.88 -1.07 0.00 0.00 179.97 180.59 1yya h TYR 100 N -0.83 0.00 -0.04 3.04 0.05 -0.92 -3.22 116.97 115.05 1yya h TYR 100 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1yya h TYR 100 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1yya h TYR 100 CO -0.07 0.22 0.00 0.72 -1.05 0.00 0.00 178.16 177.97 1yya n HIS 101 N -3.49 0.06 -2.83 4.88 8.25 -0.32 -5.00 115.22 116.77 1yya n HIS 101 Ca -0.01 -0.50 -0.18 0.00 -0.26 0.00 0.00 57.72 56.77 1yya n HIS 101 Cb 0.38 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1yya n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yya n GLY 102 N -0.38 -0.50 3.72 -1.41 0.00 -1.03 -4.91 105.19 100.68 1yya n GLY 102 Ca 0.02 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1yya n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yya s GLU 103 N -5.46 4.31 0.41 1.61 2.02 -1.08 -4.98 118.70 115.53 1yya s GLU 103 Ca 0.18 2.14 0.06 0.00 0.02 0.00 0.00 54.97 57.37 1yya s GLU 103 Cb -0.09 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.94 1yya s GLU 103 CO 0.22 -0.43 0.57 0.95 0.02 0.00 0.00 175.26 176.60 1yya s THR 104 N 0.77 3.39 0.22 3.63 -4.23 -1.26 -4.55 115.64 113.61 1yya s THR 104 Ca 0.63 -0.91 -0.09 0.00 -1.18 0.00 0.00 61.69 60.14 1yya s THR 104 Cb -0.38 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.45 1yya s THR 104 CO 0.34 -0.08 1.88 0.44 -0.54 0.00 0.00 174.62 176.65 1yya h ASP 105 N 0.62 0.87 -0.86 3.99 3.32 -1.93 -1.01 116.42 121.42 1yya h ASP 105 Ca -0.43 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1yya h ASP 105 Cb 1.27 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1yya h ASP 105 CO 0.50 0.61 0.57 0.00 -1.72 0.00 0.00 179.24 179.20 1yya h ALA 106 N 1.31 1.09 -0.30 3.45 0.00 -1.94 -0.09 119.26 122.78 1yya h ALA 106 Ca 0.30 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1yya h ALA 106 Cb -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1yya h ALA 106 CO -0.09 0.50 -0.02 1.25 0.00 0.00 0.00 179.25 180.89 1yya h LEU 107 N 1.17 0.53 -1.13 0.00 5.85 -1.80 -2.44 115.31 117.49 1yya h LEU 107 Ca 0.31 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1yya h LEU 107 Cb -0.13 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1yya h LEU 107 CO -0.07 0.72 0.59 0.58 -0.34 0.00 0.00 178.44 179.93 1yya h VAL 108 N 0.32 1.22 -0.66 1.05 2.07 -0.80 -1.23 116.25 118.22 1yya h VAL 108 Ca 0.08 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1yya h VAL 108 Cb 0.46 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1yya h VAL 108 CO 0.02 0.22 0.33 0.00 0.02 0.00 0.00 177.57 178.16 1yya h ALA 109 N 1.45 0.85 -0.65 1.67 0.00 -0.83 -0.71 119.26 121.02 1yya h ALA 109 Ca 0.33 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1yya h ALA 109 Cb -0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1yya h ALA 109 CO -0.07 0.39 0.18 0.93 0.00 0.00 0.00 179.25 180.67 1yya h GLU 110 N 0.90 1.03 -0.64 0.00 4.39 -0.87 -1.11 114.58 118.29 1yya h GLU 110 Ca 0.23 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1yya h GLU 110 Cb 0.09 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1yya h GLU 110 CO -0.03 0.91 0.37 0.87 -1.16 0.00 0.00 179.01 179.97 1yya h LYS 111 N 0.95 0.87 -0.80 2.33 1.57 -0.88 -0.96 116.57 119.64 1yya h LYS 111 Ca 0.21 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1yya h LYS 111 Cb 0.33 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1yya h LYS 111 CO -0.00 0.64 0.47 0.00 -0.57 0.00 0.00 179.45 179.99 1yya h ALA 112 N 1.19 1.03 -0.67 3.86 0.00 -0.78 -2.09 119.26 121.80 1yya h ALA 112 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1yya h ALA 112 Cb -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1yya h ALA 112 CO -0.04 0.51 0.32 0.87 0.00 0.00 0.00 179.25 180.91 1yya h LYS 113 N 1.11 0.96 -0.89 0.00 1.57 -0.62 -1.13 116.57 117.57 1yya h LYS 113 Ca 0.29 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yya h LYS 113 Cb -0.02 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 1yya h LYS 113 CO -0.05 0.76 0.54 0.00 -0.57 0.00 0.00 179.45 180.13 1yya h ARG 114 N 0.92 1.20 -0.23 3.15 2.47 -0.76 -2.06 114.38 119.06 1yya h ARG 114 Ca 0.23 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1yya h ARG 114 Cb 0.12 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1yya h ARG 114 CO -0.03 0.84 0.02 -0.07 0.56 0.00 0.00 179.97 181.29 1yya h LEU 115 N 1.22 0.39 -0.73 3.04 3.38 -1.01 -3.10 115.31 118.50 1yya h LEU 115 Ca 0.32 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1yya h LEU 115 Cb -0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1yya h LEU 115 CO -0.06 0.57 0.44 -0.07 0.09 0.00 0.00 178.44 179.41 1yya h LEU 116 N 0.19 0.67 -1.99 1.67 3.38 -0.93 -0.62 115.31 117.68 1yya h LEU 116 Ca 0.07 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1yya h LEU 116 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yya h LEU 116 CO 0.01 0.44 0.10 -0.33 0.09 0.00 0.00 178.44 178.75 1yya h GLU 117 N 0.81 0.02 -0.71 1.13 5.08 -1.33 -1.35 114.58 118.23 1yya h GLU 117 Ca 0.32 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1yya h GLU 117 Cb 0.15 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1yya h GLU 117 CO -0.17 0.01 0.00 0.39 -1.00 0.00 0.00 179.01 178.25 1yya n GLU 118 N -4.50 2.70 -1.30 2.33 -0.58 -0.60 -4.95 120.64 113.73 1yya n GLU 118 Ca 0.00 -2.56 -0.08 0.00 -0.42 0.00 0.00 57.16 54.10 1yya n GLU 118 Cb 0.21 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 1yya n GLU 118 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yya n GLY 119 N 1.60 0.93 3.77 0.62 0.00 -0.51 -4.85 105.19 106.76 1yya n GLY 119 Ca 0.24 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1yya n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yya s ILE 120 N -2.31 5.05 -0.27 -0.61 1.01 -0.34 -4.97 121.20 118.77 1yya s ILE 120 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 1yya s ILE 120 Cb 0.00 -3.20 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 1yya s ILE 120 CO 0.00 0.58 0.85 -0.89 0.00 0.00 0.00 174.94 175.48 1yya s THR 121 N -0.65 4.79 0.41 2.92 2.01 -0.29 -3.59 115.64 121.24 1yya s THR 121 Ca 0.12 1.50 -0.24 0.00 0.31 0.00 0.00 61.69 63.38 1yya s THR 121 Cb -0.12 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 1yya s THR 121 CO 0.02 -0.17 1.09 -2.84 -0.69 0.00 0.00 174.62 172.03 1yya s PRO 122 N 2.97 4.06 -0.60 4.92 0.02 -1.26 -2.39 135.00 142.73 1yya s PRO 122 Ca 0.36 1.60 -0.02 0.00 0.02 0.00 0.00 61.00 62.96 1yya s PRO 122 Cb -0.15 -2.52 0.15 0.00 0.02 0.00 0.00 34.50 32.00 1yya s PRO 122 CO 0.09 -0.25 0.40 0.42 -0.33 0.00 0.00 177.00 177.34 1yya s ILE 123 N -1.61 3.49 -0.25 2.83 1.01 -0.29 -1.68 121.20 124.71 1yya s ILE 123 Ca 0.59 -3.01 -0.28 0.00 0.00 0.00 0.00 60.65 57.95 1yya s ILE 123 Cb -0.24 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 38.94 1yya s ILE 123 CO 0.30 -0.86 0.98 -0.22 0.00 0.00 0.00 174.94 175.15 1yya s LEU 124 N -0.08 4.08 -0.08 2.97 2.96 -0.20 -1.60 118.68 126.72 1yya s LEU 124 Ca 0.17 1.23 -0.14 0.00 -0.22 0.00 0.00 54.13 55.17 1yya s LEU 124 Cb -0.21 -3.44 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1yya s LEU 124 CO -0.03 -0.66 0.35 0.00 -1.32 0.00 0.00 176.35 174.69 1yya s VAL 126 N -0.39 0.07 0.00 0.00 -7.23 -0.53 -4.70 120.40 107.62 1yya s VAL 126 Ca 0.21 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1yya s VAL 126 Cb -0.15 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1yya s VAL 126 CO 0.09 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1yya n GLY 127 N 2.05 1.30 3.79 2.32 0.00 -1.26 -1.36 105.19 112.02 1yya n GLY 127 Ca -0.20 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1yya n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yya s GLU 128 N -2.00 2.85 0.67 1.61 1.03 -1.26 -4.66 118.70 116.95 1yya s GLU 128 Ca 0.00 -0.90 -0.11 0.00 0.03 0.00 0.00 54.97 53.99 1yya s GLU 128 Cb 0.00 -2.62 -0.01 0.00 -0.80 0.00 0.00 34.13 30.71 1yya s GLU 128 CO 0.00 0.48 1.06 -1.25 -1.33 0.00 0.00 175.26 174.22 1yya s PRO 129 N -3.11 3.15 0.21 -4.83 0.04 -1.26 -1.47 135.00 127.73 1yya s PRO 129 Ca 0.31 0.67 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 1yya s PRO 129 Cb -0.10 -2.04 0.29 0.00 0.04 0.00 0.00 34.50 32.69 1yya s PRO 129 CO 0.23 -0.88 1.72 1.25 0.04 0.00 0.00 177.00 179.36 1yya h LEU 130 N -0.54 0.09 -1.50 -3.56 5.85 -1.96 -2.09 115.31 111.59 1yya h LEU 130 Ca -0.45 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1yya h LEU 130 Cb 1.22 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1yya h LEU 130 CO 0.62 0.05 -0.06 1.05 -0.34 0.00 0.00 178.44 179.76 1yya h GLU 131 N 0.31 0.25 -0.43 1.25 9.09 -1.98 0.11 114.58 123.19 1yya h GLU 131 Ca 0.31 -0.05 -0.15 0.00 0.05 0.00 0.00 59.36 59.53 1yya h GLU 131 Cb 0.44 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 1yya h GLU 131 CO -0.36 0.33 -0.30 0.28 0.05 0.00 0.00 179.01 179.00 1yya h VAL 132 N 0.25 1.27 -0.44 -1.06 2.07 -1.77 -1.32 116.25 115.25 1yya h VAL 132 Ca 0.06 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1yya h VAL 132 Cb 0.27 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1yya h VAL 132 CO 0.01 0.50 0.18 -0.09 0.02 0.00 0.00 177.57 178.19 1yya h ARG 133 N 0.79 0.65 0.00 1.57 9.65 -0.85 -0.94 114.38 125.25 1yya h ARG 133 Ca 0.08 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1yya h ARG 133 Cb 0.89 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1yya h ARG 133 CO 0.08 0.59 -0.21 0.93 2.80 0.00 0.00 179.97 184.15 1yya h GLU 134 N 0.56 0.00 -0.00 0.20 5.08 -0.88 -1.15 114.58 118.40 1yya h GLU 134 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1yya h GLU 134 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1yya h GLU 134 CO -0.01 0.21 -0.03 1.63 -1.00 0.00 0.00 179.01 179.81 1yya n LYS 135 N -3.60 0.90 -1.11 2.33 5.02 -0.51 -4.90 118.16 116.30 1yya n LYS 135 Ca -0.01 -0.20 -0.04 0.00 -2.02 0.00 0.00 58.31 56.04 1yya n LYS 135 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1yya n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yya n GLY 136 N 1.15 0.67 1.00 0.72 0.00 -0.43 -4.94 105.19 103.37 1yya n GLY 136 Ca 0.19 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.37 1yya n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yya n GLU 137 N -2.87 2.43 -0.04 1.61 1.02 -0.39 -4.74 120.64 117.66 1yya n GLU 137 Ca -0.04 -2.97 -0.09 0.00 -0.02 0.00 0.00 57.16 54.04 1yya n GLU 137 Cb 0.13 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 1yya n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yya h ALA 138 N 1.41 0.23 0.33 0.62 0.00 -1.81 -2.07 119.26 117.96 1yya h ALA 138 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1yya h ALA 138 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1yya h ALA 138 CO 0.30 -0.35 -0.16 0.28 0.00 0.00 0.00 179.25 179.32 1yya h VAL 139 N 0.17 0.69 -0.72 0.00 2.07 -1.94 -0.77 116.25 115.75 1yya h VAL 139 Ca 0.09 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1yya h VAL 139 Cb 0.06 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1yya h VAL 139 CO -0.09 0.06 0.41 -0.65 0.02 0.00 0.00 177.57 177.31 1yya h PRO 140 N -0.60 0.71 0.01 1.57 0.11 -1.90 0.12 132.00 132.02 1yya h PRO 140 Ca -0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1yya h PRO 140 Cb 0.44 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1yya h PRO 140 CO 0.07 0.47 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.41 1yya h TYR 141 N 0.73 -0.01 -0.65 0.65 5.03 -1.33 -1.71 116.97 119.69 1yya h TYR 141 Ca 0.33 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.58 1yya h TYR 141 Cb 0.22 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 1yya h TYR 141 CO -0.07 0.10 0.19 1.15 -1.32 0.00 0.00 178.16 178.20 1yya h THR 142 N -0.12 1.25 -0.17 1.81 2.02 -0.76 -2.29 112.91 114.64 1yya h THR 142 Ca -0.00 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.21 1yya h THR 142 Cb 0.11 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1yya h THR 142 CO 0.00 0.34 -0.26 -0.07 0.37 0.00 0.00 175.52 175.90 1yya h LEU 143 N 0.94 0.32 -0.72 2.58 3.38 -0.71 -0.20 115.31 120.89 1yya h LEU 143 Ca 0.21 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1yya h LEU 143 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yya h LEU 143 CO -0.00 0.58 -0.22 -0.09 0.09 0.00 0.00 178.44 178.80 1yya h ARG 144 N 0.29 0.74 -0.37 1.13 2.43 -1.04 -0.25 114.38 117.30 1yya h ARG 144 Ca 0.04 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 1yya h ARG 144 Cb 0.61 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1yya h ARG 144 CO 0.04 0.90 -0.21 0.37 -1.51 0.00 0.00 179.97 179.56 1yya h GLN 145 N 0.65 0.81 -0.03 0.20 4.15 -0.93 -1.70 115.11 118.24 1yya h GLN 145 Ca 0.09 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 1yya h GLN 145 Cb 0.72 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 1yya h GLN 145 CO 0.06 1.00 0.02 1.25 -1.93 0.00 0.00 178.83 179.22 1yya h LEU 146 N 0.60 0.04 -0.75 -2.39 5.85 -0.76 -0.25 115.31 117.65 1yya h LEU 146 Ca 0.08 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1yya h LEU 146 Cb 0.77 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1yya h LEU 146 CO 0.06 0.12 0.39 0.03 -0.34 0.00 0.00 178.44 178.70 1yya h ARG 147 N -0.04 1.05 -0.41 1.25 3.08 -0.99 -1.69 114.38 116.64 1yya h ARG 147 Ca 0.01 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1yya h ARG 147 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1yya h ARG 147 CO -0.00 0.80 -0.23 0.78 -1.07 0.00 0.00 179.97 180.25 1yya h GLY 148 N 1.04 0.91 2.00 0.04 0.00 -1.19 -2.80 103.07 103.08 1yya h GLY 148 Ca 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1yya h GLY 148 CO -0.04 0.73 0.00 1.44 0.00 0.00 0.00 176.54 178.67 1yya n SER 149 N -4.11 0.38 -0.71 0.19 7.64 -0.12 -2.86 113.62 114.05 1yya n SER 149 Ca -0.00 0.57 0.06 0.00 1.01 0.00 0.00 58.87 60.51 1yya n SER 149 Cb 0.45 -0.66 0.17 0.00 -1.01 0.00 0.00 64.21 63.16 1yya n SER 149 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yya n LEU 150 N -1.90 3.02 -4.66 -3.43 4.77 -0.67 -3.48 117.00 110.66 1yya n LEU 150 Ca 0.04 -1.99 -0.42 0.00 -0.03 0.00 0.00 56.01 53.61 1yya n LEU 150 Cb 0.27 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1yya n LEU 150 CO 0.22 0.75 1.53 -0.70 -1.33 0.00 0.00 177.39 177.86 1yya s GLU 151 N -1.00 4.15 0.00 3.23 2.56 -1.10 -1.26 118.70 125.29 1yya s GLU 151 Ca 0.26 2.52 0.00 0.00 0.00 0.00 0.00 54.97 57.74 1yya s GLU 151 Cb 0.13 -4.06 0.00 0.00 2.00 0.00 0.00 34.13 32.20 1yya s GLU 151 CO 0.17 -0.92 0.00 0.41 -0.56 0.00 0.00 175.26 174.37 1yya n GLY 152 N 4.42 0.73 3.54 -1.50 0.00 -1.26 -4.83 105.19 106.28 1yya n GLY 152 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1yya n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yya s VAL 153 N -3.10 4.76 -0.45 1.61 1.01 -0.39 -4.98 120.40 118.86 1yya s VAL 153 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1yya s VAL 153 Cb 0.00 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.28 1yya s VAL 153 CO 0.00 -0.59 0.25 -1.61 0.00 0.00 0.00 175.10 173.15 1yya s GLU 154 N 3.01 1.37 0.72 2.72 0.41 -1.26 -5.01 118.70 120.66 1yya s GLU 154 Ca 0.26 -2.09 -0.14 0.00 -0.41 0.00 0.00 54.97 52.59 1yya s GLU 154 Cb -0.13 -2.44 0.03 0.00 -1.78 0.00 0.00 34.13 29.81 1yya s GLU 154 CO 0.20 -1.16 1.15 -2.14 -0.49 0.00 0.00 175.26 172.81 1yya s PRO 155 N 0.25 2.35 0.34 0.39 0.02 -1.26 -4.93 135.00 132.16 1yya s PRO 155 Ca 0.18 1.52 0.07 0.00 0.02 0.00 0.00 61.00 62.79 1yya s PRO 155 Cb -0.24 -1.88 0.61 0.00 0.02 0.00 0.00 34.50 33.01 1yya s PRO 155 CO -0.00 -1.62 1.82 -1.00 -0.33 0.00 0.00 177.00 175.86 1yya h PRO 156 N -0.36 0.30 -3.03 5.54 0.13 -1.95 -3.46 132.00 129.18 1yya h PRO 156 Ca -0.46 -0.09 0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1yya h PRO 156 Cb 1.27 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1yya h PRO 156 CO 0.51 0.51 0.22 0.20 -0.23 0.00 0.00 178.00 179.21 1yya s GLY 157 N -4.07 -0.01 0.62 1.56 0.00 -1.26 -5.04 107.32 99.12 1yya s GLY 157 Ca -0.06 -0.38 0.39 0.00 0.00 0.00 0.00 44.72 44.67 1yya s GLY 157 CO 0.76 -0.14 2.27 -0.56 0.00 0.00 0.00 173.10 175.43 1yya h PRO 158 N 2.01 0.00 0.00 2.90 0.13 -1.90 -1.50 132.00 133.64 1yya h PRO 158 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1yya h PRO 158 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1yya h PRO 158 CO 0.25 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.09 1yya h GLU 159 N 0.00 0.00 -0.62 0.86 9.09 -1.94 -3.06 114.58 118.91 1yya h GLU 159 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1yya h GLU 159 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1yya h GLU 159 CO 0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 1yya n ALA 160 N -1.88 2.88 -3.54 1.06 0.00 -0.57 -4.88 120.51 113.60 1yya n ALA 160 Ca 0.02 -1.23 -0.13 0.00 0.00 0.00 0.00 53.44 52.10 1yya n ALA 160 Cb 0.30 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 1yya n ALA 160 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1yya s LEU 161 N -1.48 0.64 -0.03 0.00 2.96 -1.15 -4.01 118.68 115.61 1yya s LEU 161 Ca 0.41 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.85 1yya s LEU 161 Cb 0.26 0.74 -0.00 0.00 0.50 0.00 0.00 46.19 47.68 1yya s LEU 161 CO 0.21 -0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 1yya s VAL 162 N 0.90 1.09 -0.08 1.68 1.01 -0.67 -4.15 120.40 120.18 1yya s VAL 162 Ca -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1yya s VAL 162 Cb -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1yya s VAL 162 CO -0.06 0.32 -0.10 -0.63 0.00 0.00 0.00 175.10 174.64 1yya s ILE 163 N 0.11 3.44 -0.19 2.22 -1.09 -0.88 -1.03 121.20 123.78 1yya s ILE 163 Ca -0.03 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1yya s ILE 163 Cb -0.10 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1yya s ILE 163 CO 0.01 0.58 -0.17 0.00 -1.23 0.00 0.00 174.94 174.14 1yya s ALA 164 N -0.57 2.24 -0.40 9.38 0.00 0.73 -0.33 121.76 132.81 1yya s ALA 164 Ca 0.08 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 1yya s ALA 164 Cb -0.12 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1yya s ALA 164 CO 0.02 -0.52 0.53 -0.47 0.00 0.00 0.00 175.76 175.31 1yya s TYR 165 N 1.31 3.14 -0.29 0.00 5.04 0.31 -1.46 117.35 125.40 1yya s TYR 165 Ca 0.02 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 1yya s TYR 165 Cb -0.14 -3.04 0.08 0.00 0.35 0.00 0.00 41.96 39.21 1yya s TYR 165 CO -0.11 -0.69 0.03 -1.21 -1.34 0.00 0.00 175.55 172.23 1yya s GLU 166 N 2.44 1.25 0.16 4.97 2.02 -0.46 -1.11 118.70 127.97 1yya s GLU 166 Ca 0.18 -1.24 -0.32 0.00 0.02 0.00 0.00 54.97 53.61 1yya s GLU 166 Cb -0.16 -2.55 -0.11 0.00 0.10 0.00 0.00 34.13 31.42 1yya s GLU 166 CO 0.15 -0.82 1.68 -2.14 0.02 0.00 0.00 175.26 174.15 1yya s PRO 167 N 1.35 4.17 0.33 0.39 0.02 -1.25 -4.11 135.00 135.89 1yya s PRO 167 Ca 0.04 2.49 0.05 0.00 0.02 0.00 0.00 61.00 63.61 1yya s PRO 167 Cb -0.18 -3.25 0.69 0.00 0.02 0.00 0.00 34.50 31.78 1yya s PRO 167 CO -0.13 -0.72 1.87 0.28 -0.33 0.00 0.00 177.00 177.98 1yya h VAL 168 N 4.15 0.91 0.00 3.83 2.07 -1.52 0.39 116.25 126.07 1yya h VAL 168 Ca -0.43 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1yya h VAL 168 Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1yya h VAL 168 CO 0.94 0.15 0.00 -2.67 0.02 0.00 0.00 177.57 176.01 1yya n TRP 169 N -4.56 0.00 0.79 1.57 4.27 -1.26 -2.47 117.44 115.79 1yya n TRP 169 Ca 0.17 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.89 1yya n TRP 169 Cb 0.38 -0.49 0.11 0.00 -1.36 0.00 0.00 31.31 29.95 1yya n TRP 169 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1yya n ALA 170 N -1.49 2.45 -2.59 -1.67 0.00 0.12 -4.66 120.51 112.67 1yya n ALA 170 Ca 0.03 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 1yya n ALA 170 Cb 0.16 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1yya n ALA 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yya s ILE 171 N -1.77 4.83 0.00 0.00 1.01 -1.03 -1.84 121.20 122.40 1yya s ILE 171 Ca 0.28 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1yya s ILE 171 Cb 0.19 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1yya s ILE 171 CO 0.28 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1yya n GLY 172 N 4.45 0.10 0.05 6.18 0.00 -1.26 -4.79 105.19 109.92 1yya n GLY 172 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1yya n GLY 172 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yya n THR 173 N -2.12 0.26 -0.34 2.61 -2.24 -1.26 -4.96 114.28 106.23 1yya n THR 173 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1yya n THR 173 Cb 0.32 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1yya n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yya n GLY 174 N 1.31 1.37 3.18 3.38 0.00 -1.26 -5.00 105.19 108.17 1yya n GLY 174 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1yya n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yya s LYS 175 N -0.35 2.45 0.46 1.61 -2.85 -1.26 -5.01 119.74 114.80 1yya s LYS 175 Ca 0.00 -1.93 -0.14 0.00 -1.00 0.00 0.00 55.97 52.90 1yya s LYS 175 Cb 0.00 -3.85 -0.07 0.00 -2.06 0.00 0.00 37.83 31.84 1yya s LYS 175 CO 0.00 -1.17 0.88 0.54 0.10 0.00 0.00 175.35 175.70 1yya s ASN 176 N 2.17 6.57 0.53 0.03 4.22 -1.26 -4.20 114.94 123.00 1yya s ASN 176 Ca 0.09 1.35 -0.20 0.00 -2.14 0.00 0.00 52.86 51.96 1yya s ASN 176 Cb -0.24 -2.42 -0.06 0.00 1.28 0.00 0.00 41.25 39.82 1yya s ASN 176 CO -0.02 -0.50 1.16 0.00 -2.04 0.00 0.00 177.10 175.70 1yya s ALA 177 N -2.51 2.75 0.57 3.54 0.00 -1.26 -4.98 121.76 119.88 1yya s ALA 177 Ca 0.55 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 1yya s ALA 177 Cb -0.10 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1yya s ALA 177 CO 0.32 -0.84 1.14 0.95 0.00 0.00 0.00 175.76 177.33 1yya s THR 178 N -1.65 3.10 0.39 0.00 -4.23 -1.26 -4.78 115.64 107.20 1yya s THR 178 Ca 0.71 0.66 0.16 0.00 -1.18 0.00 0.00 61.69 62.03 1yya s THR 178 Cb -0.27 -3.24 0.37 0.00 1.34 0.00 0.00 72.50 70.70 1yya s THR 178 CO 0.31 -0.17 1.82 -0.65 -0.54 0.00 0.00 174.62 175.39 1yya h PRO 179 N 0.98 0.46 -0.38 3.99 0.11 -1.93 -0.29 132.00 134.94 1yya h PRO 179 Ca -0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1yya h PRO 179 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1yya h PRO 179 CO 0.56 0.31 0.03 0.93 -0.21 0.00 0.00 178.00 179.62 1yya h GLU 180 N 0.48 0.66 -0.34 1.05 3.07 -1.94 -0.44 114.58 117.12 1yya h GLU 180 Ca 0.52 -0.19 -0.15 0.00 -0.50 0.00 0.00 59.36 59.04 1yya h GLU 180 Cb 1.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1yya h GLU 180 CO -0.24 0.74 -0.39 -0.44 -1.40 0.00 0.00 179.01 177.27 1yya h ASP 181 N 0.49 0.86 -0.11 1.42 3.32 -1.53 -1.53 116.42 119.34 1yya h ASP 181 Ca 0.11 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1yya h ASP 181 Cb 0.42 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1yya h ASP 181 CO 0.01 1.15 0.04 0.00 -1.72 0.00 0.00 179.24 178.72 1yya h ALA 182 N 0.89 0.14 -0.65 3.45 0.00 -1.04 -1.50 119.26 120.55 1yya h ALA 182 Ca 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1yya h ALA 182 Cb 0.95 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1yya h ALA 182 CO 0.09 -0.27 0.34 1.49 0.00 0.00 0.00 179.25 180.89 1yya h GLU 183 N 0.01 0.59 -0.57 0.00 4.57 -1.01 0.91 114.58 119.09 1yya h GLU 183 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yya h GLU 183 Cb 0.17 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1yya h GLU 183 CO -0.00 0.39 0.37 0.00 -1.18 0.00 0.00 179.01 178.59 1yya h ALA 184 N 1.36 0.73 -0.29 2.92 0.00 -1.01 -0.98 119.26 121.98 1yya h ALA 184 Ca 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1yya h ALA 184 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yya h ALA 184 CO -0.21 0.18 -0.12 1.98 0.00 0.00 0.00 179.25 181.08 1yya h MET 185 N 0.77 0.59 -0.46 0.00 1.85 -0.58 -2.56 114.93 114.54 1yya h MET 185 Ca 0.21 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1yya h MET 185 Cb -0.06 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.92 1yya h MET 185 CO -0.04 0.82 0.24 0.45 -0.40 0.00 0.00 176.91 177.97 1yya h HIS 186 N 0.35 0.61 -0.53 1.39 -0.00 -0.65 0.19 115.15 116.51 1yya h HIS 186 Ca 0.07 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 1yya h HIS 186 Cb 0.63 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.82 1yya h HIS 186 CO 0.06 0.44 0.07 1.96 -0.00 0.00 0.00 177.93 180.46 1yya h GLN 187 N 0.63 0.88 -0.53 2.45 4.20 -1.03 0.62 115.11 122.33 1yya h GLN 187 Ca 0.16 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1yya h GLN 187 Cb 0.04 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1yya h GLN 187 CO -0.03 0.87 0.10 0.00 -0.67 0.00 0.00 178.83 179.10 1yya h ALA 188 N 0.98 0.70 -0.28 3.87 0.00 -0.95 -1.30 119.26 122.28 1yya h ALA 188 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1yya h ALA 188 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yya h ALA 188 CO 0.01 0.43 0.11 0.82 0.00 0.00 0.00 179.25 180.61 1yya h ILE 189 N 0.76 1.18 -0.53 0.00 2.04 -0.76 -1.59 117.51 118.61 1yya h ILE 189 Ca 0.16 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1yya h ILE 189 Cb 0.38 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1yya h ILE 189 CO 0.01 0.19 0.18 -0.09 0.00 0.00 0.00 178.15 178.44 1yya h ARG 190 N 0.30 0.78 -0.57 2.37 2.43 -0.74 0.24 114.38 119.19 1yya h ARG 190 Ca 0.09 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1yya h ARG 190 Cb 0.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1yya h ARG 190 CO -0.01 0.67 0.01 -0.22 -1.51 0.00 0.00 179.97 178.91 1yya h LYS 191 N 0.77 0.98 -0.63 0.20 3.64 -1.02 -0.05 116.57 120.46 1yya h LYS 191 Ca 0.18 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1yya h LYS 191 Cb 0.21 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1yya h LYS 191 CO -0.01 0.96 0.05 0.00 -2.27 0.00 0.00 179.45 178.18 1yya h ALA 192 N 1.09 0.89 -0.27 5.00 0.00 -0.49 -2.07 119.26 123.42 1yya h ALA 192 Ca 0.17 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1yya h ALA 192 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yya h ALA 192 CO 0.03 0.67 -0.13 -0.07 0.00 0.00 0.00 179.25 179.74 1yya h LEU 193 N 1.00 0.43 -0.60 0.00 3.38 -0.46 -1.86 115.31 117.20 1yya h LEU 193 Ca 0.19 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1yya h LEU 193 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1yya h LEU 193 CO 0.02 0.60 -0.02 -1.28 0.09 0.00 0.00 178.44 177.85 1yya h SER 194 N 0.42 1.05 0.28 -0.43 0.87 -0.45 0.37 113.55 115.66 1yya h SER 194 Ca 0.08 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1yya h SER 194 Cb 0.48 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1yya h SER 194 CO 0.03 1.11 -0.42 -0.33 -0.53 0.00 0.00 176.83 176.69 1yya h GLU 195 N 0.97 0.18 0.20 2.24 5.08 -1.10 0.59 114.58 122.74 1yya h GLU 195 Ca 0.17 -0.09 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 1yya h GLU 195 Cb 0.58 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.86 1yya h GLU 195 CO 0.03 0.57 -1.30 -0.09 -1.00 0.00 0.00 179.01 177.23 1yya h ARG 196 N 0.15 0.43 0.00 2.33 9.65 -0.95 -3.41 114.38 122.58 1yya h ARG 196 Ca 0.01 -0.73 0.00 0.00 -1.10 0.00 0.00 59.98 58.16 1yya h ARG 196 Cb 0.81 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1yya h ARG 196 CO 0.06 1.35 0.00 0.66 2.80 0.00 0.00 179.97 184.84 1yya n TYR 197 N -3.85 0.00 0.00 2.20 4.01 0.13 -5.09 117.16 114.55 1yya n TYR 197 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1yya n TYR 197 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1yya n TYR 197 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yya n GLY 198 N 0.14 1.40 0.21 2.72 0.00 0.21 -4.49 105.19 105.38 1yya n GLY 198 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1yya n GLY 198 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yya h GLU 199 N 0.00 0.65 -0.51 1.61 4.57 -1.89 -1.19 114.58 117.82 1yya h GLU 199 Ca 0.00 -0.11 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1yya h GLU 199 Cb 0.00 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 1yya h GLU 199 CO 0.00 0.58 0.20 0.00 -1.18 0.00 0.00 179.01 178.61 1yya h ALA 200 N 1.04 0.63 0.47 2.92 0.00 -1.95 0.47 119.26 122.83 1yya h ALA 200 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1yya h ALA 200 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yya h ALA 200 CO -0.02 -0.19 -0.22 0.35 0.00 0.00 0.00 179.25 179.17 1yya h PHE 201 N 0.39 -0.58 -0.90 0.00 3.04 -1.76 -3.23 116.94 113.90 1yya h PHE 201 Ca 0.24 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.29 1yya h PHE 201 Cb 0.24 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.87 1yya h PHE 201 CO -0.15 -0.26 0.58 0.00 -2.02 0.00 0.00 178.31 176.46 1yya h ALA 202 N -0.47 1.67 0.00 2.41 0.00 -0.98 -1.15 119.26 120.73 1yya h ALA 202 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yya h ALA 202 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yya h ALA 202 CO 0.11 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 1yya n SER 203 N -4.55 0.49 -0.15 0.00 3.41 0.13 -2.64 113.62 110.32 1yya n SER 203 Ca 0.16 0.64 0.06 0.00 -0.26 0.00 0.00 58.87 59.48 1yya n SER 203 Cb 0.35 -0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 1yya n SER 203 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1yya n ARG 204 N -2.07 2.31 -2.50 4.33 1.74 -0.46 -4.87 116.66 115.15 1yya n ARG 204 Ca 0.02 -0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.33 1yya n ARG 204 Cb 0.18 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1yya n ARG 204 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yya s VAL 205 N -1.96 4.25 -0.15 1.55 1.01 -1.08 -4.73 120.40 119.29 1yya s VAL 205 Ca 0.08 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1yya s VAL 205 Cb 0.10 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1yya s VAL 205 CO 0.44 0.13 0.99 -0.13 0.00 0.00 0.00 175.10 176.53 1yya s ARG 206 N 1.04 4.35 -0.29 2.72 0.52 -1.26 -4.99 118.95 121.05 1yya s ARG 206 Ca 0.57 1.33 -0.02 0.00 -0.52 0.00 0.00 55.73 57.09 1yya s ARG 206 Cb -0.27 -3.58 0.04 0.00 0.52 0.00 0.00 34.95 31.66 1yya s ARG 206 CO 0.29 -0.42 -0.00 0.42 0.02 0.00 0.00 175.30 175.61 1yya s ILE 207 N 2.40 3.07 0.21 1.52 1.01 -1.26 -2.06 121.20 126.09 1yya s ILE 207 Ca 0.46 -1.27 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1yya s ILE 207 Cb -0.17 -2.72 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 1yya s ILE 207 CO 0.13 -0.05 0.47 -0.76 0.00 0.00 0.00 174.94 174.74 1yya s LEU 208 N 1.29 4.18 -0.07 2.97 1.43 0.55 -0.83 118.68 128.19 1yya s LEU 208 Ca -0.04 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1yya s LEU 208 Cb -0.19 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1yya s LEU 208 CO -0.01 -0.06 0.09 -0.47 0.23 0.00 0.00 176.35 176.12 1yya s TYR 209 N -1.84 3.38 0.02 0.29 5.04 -0.65 -0.53 117.35 123.06 1yya s TYR 209 Ca 0.43 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1yya s TYR 209 Cb -0.11 -1.84 -0.02 0.00 0.35 0.00 0.00 41.96 40.34 1yya s TYR 209 CO 0.26 0.60 -0.03 0.20 -1.34 0.00 0.00 175.55 175.24 1yya s GLY 210 N -1.22 0.27 0.00 8.97 0.00 -0.27 -1.17 107.32 113.90 1yya s GLY 210 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1yya s GLY 210 CO 0.07 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.09 1yya n GLY 211 N 1.55 1.72 2.95 0.20 0.00 -1.26 -3.88 105.19 106.48 1yya n GLY 211 Ca -0.24 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1yya n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yya n SER 212 N 0.00 -5.62 -4.72 1.61 7.64 -0.77 -4.26 113.62 107.50 1yya n SER 212 Ca 0.00 -0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.17 1yya n SER 212 Cb 0.00 -4.41 -0.03 0.00 -1.01 0.00 0.00 64.21 58.76 1yya n SER 212 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1yya s VAL 213 N -3.14 4.09 0.22 0.44 1.01 -1.26 -4.63 120.40 117.13 1yya s VAL 213 Ca 0.32 1.62 -0.13 0.00 0.00 0.00 0.00 61.98 63.80 1yya s VAL 213 Cb -0.14 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1yya s VAL 213 CO 0.39 0.20 0.45 0.54 0.00 0.00 0.00 175.10 176.68 1yya s ASN 214 N 0.51 -0.09 0.58 3.32 2.20 -1.26 -4.44 114.94 115.75 1yya s ASN 214 Ca 0.53 -0.85 0.29 0.00 -0.94 0.00 0.00 52.86 51.90 1yya s ASN 214 Cb -0.28 0.56 1.45 0.00 -2.00 0.00 0.00 41.25 40.98 1yya s ASN 214 CO 0.32 -1.08 1.87 -0.65 -2.94 0.00 0.00 177.10 174.62 1yya h PRO 215 N 2.30 0.00 0.00 3.55 0.11 -1.94 -0.70 132.00 135.31 1yya h PRO 215 Ca -0.28 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.67 1yya h PRO 215 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1yya h PRO 215 CO 0.38 0.00 -0.78 0.87 -0.21 0.00 0.00 178.00 178.27 1yya h LYS 216 N 0.00 0.00 -0.00 1.05 1.79 -1.98 -3.38 116.57 114.06 1yya h LYS 216 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1yya h LYS 216 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1yya h LYS 216 CO -0.00 0.78 -0.19 0.27 -1.08 0.00 0.00 179.45 179.22 1yya n ASN 217 N -3.41 0.28 -0.26 0.86 0.23 -0.70 -4.77 115.26 107.49 1yya n ASN 217 Ca 0.00 -0.64 -0.05 0.00 -0.53 0.00 0.00 54.58 53.36 1yya n ASN 217 Cb 0.81 0.94 0.06 0.00 -2.08 0.00 0.00 39.78 39.50 1yya n ASN 217 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1yya h PHE 218 N 0.06 0.93 -0.33 -2.53 3.57 -1.33 -2.65 116.94 114.66 1yya h PHE 218 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1yya h PHE 218 Cb 0.11 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1yya h PHE 218 CO 0.00 0.61 0.10 0.00 -2.23 0.00 0.00 178.31 176.79 1yya h ALA 219 N 1.24 0.37 -0.25 2.41 0.00 -1.85 0.34 119.26 121.53 1yya h ALA 219 Ca 0.26 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1yya h ALA 219 Cb -0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yya h ALA 219 CO -0.05 -0.30 -0.28 -0.44 0.00 0.00 0.00 179.25 178.18 1yya h ASP 220 N 0.24 0.49 -0.26 0.00 3.32 -1.88 -1.54 116.42 116.79 1yya h ASP 220 Ca 0.15 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1yya h ASP 220 Cb 0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1yya h ASP 220 CO -0.16 0.75 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.99 1yya h LEU 221 N 0.42 0.50 -1.79 1.55 3.38 -1.10 -2.97 115.31 115.31 1yya h LEU 221 Ca 0.06 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1yya h LEU 221 Cb 0.70 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1yya h LEU 221 CO 0.05 0.74 -0.14 0.25 0.09 0.00 0.00 178.44 179.44 1yya h LEU 222 N 0.25 0.00 -1.69 1.67 5.85 -0.77 -2.68 115.31 117.94 1yya h LEU 222 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1yya h LEU 222 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1yya h LEU 222 CO 0.02 0.14 -0.02 0.77 -0.34 0.00 0.00 178.44 179.01 1yya h SER 223 N 0.00 0.00 -3.00 1.25 4.64 -1.11 -3.44 113.55 111.89 1yya h SER 223 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1yya h SER 223 Cb 0.40 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1yya h SER 223 CO 0.02 0.02 0.76 -0.04 -0.87 0.00 0.00 176.83 176.72 1yya s MET 224 N -3.76 4.30 0.40 4.77 -1.94 -1.01 -4.92 119.30 117.13 1yya s MET 224 Ca -0.00 2.15 0.20 0.00 -1.71 0.00 0.00 55.69 56.33 1yya s MET 224 Cb 0.10 -3.22 1.16 0.00 2.01 0.00 0.00 34.83 34.88 1yya s MET 224 CO 0.53 -0.46 1.73 -1.35 -0.01 0.00 0.00 175.02 175.46 1yya h PRO 225 N 6.63 0.32 -0.56 2.03 0.11 -1.90 -1.99 132.00 136.65 1yya h PRO 225 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1yya h PRO 225 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1yya h PRO 225 CO 0.87 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.96 1yya n ASN 226 N -4.70 3.61 -4.47 -2.05 3.02 -1.26 -4.84 115.26 104.57 1yya n ASN 226 Ca 0.29 -1.98 -0.40 0.00 -0.03 0.00 0.00 54.58 52.45 1yya n ASN 226 Cb 1.00 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 39.69 1yya n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yya s VAL 227 N -1.14 4.99 -0.96 2.41 1.01 -0.75 -4.66 120.40 121.30 1yya s VAL 227 Ca 0.41 -0.43 0.17 0.00 0.00 0.00 0.00 61.98 62.14 1yya s VAL 227 Cb 0.22 -3.62 0.69 0.00 0.00 0.00 0.00 36.38 33.67 1yya s VAL 227 CO 0.30 -0.07 1.60 0.47 0.00 0.00 0.00 175.10 177.41 1yya n ASP 228 N 5.07 4.68 0.00 3.32 8.00 -0.01 -4.75 116.55 132.85 1yya n ASP 228 Ca -0.13 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.87 1yya n ASP 228 Cb 0.49 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1yya n ASP 228 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yya n GLY 229 N 0.91 0.25 3.11 0.44 0.00 -1.26 -1.67 105.19 106.97 1yya n GLY 229 Ca 0.25 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1yya n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yya s GLY 230 N 0.00 0.03 -0.44 -0.02 0.00 -0.58 -1.63 107.32 104.67 1yya s GLY 230 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.51 1yya s GLY 230 CO 0.00 -0.22 0.33 -2.27 0.00 0.00 0.00 173.10 170.94 1yya s LEU 231 N -1.29 5.36 -0.24 0.66 2.96 -0.31 -1.37 118.68 124.45 1yya s LEU 231 Ca -0.14 -1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 52.32 1yya s LEU 231 Cb -0.07 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1yya s LEU 231 CO 0.02 -0.58 0.21 -0.69 -1.32 0.00 0.00 176.35 173.99 1yya s VAL 232 N 1.56 5.33 0.00 1.68 1.01 0.65 -4.06 120.40 126.56 1yya s VAL 232 Ca 0.04 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1yya s VAL 232 Cb -0.23 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1yya s VAL 232 CO 0.05 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1yya n GLY 233 N 4.26 0.90 0.42 4.51 0.00 -1.26 0.32 105.19 114.33 1yya n GLY 233 Ca -0.14 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.12 1yya n GLY 233 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yya h GLY 234 N 0.00 0.99 0.87 -0.02 0.00 -1.91 -0.13 103.07 102.87 1yya h GLY 234 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1yya h GLY 234 CO 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.45 1yya n ALA 235 N -2.52 2.25 0.77 3.60 0.00 -1.26 -2.42 120.51 120.93 1yya n ALA 235 Ca 0.24 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1yya n ALA 235 Cb 0.88 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1yya n ALA 235 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yya n SER 236 N -0.93 1.77 -0.04 0.00 3.41 -0.06 -3.44 113.62 114.32 1yya n SER 236 Ca 0.13 -1.38 -0.16 0.00 -0.26 0.00 0.00 58.87 57.20 1yya n SER 236 Cb 0.06 0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1yya n SER 236 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1yya h LEU 237 N 2.05 0.87 -9.22 1.04 3.38 -1.60 -3.43 115.31 108.40 1yya h LEU 237 Ca 0.00 -0.60 -0.59 0.00 0.09 0.00 0.00 57.88 56.78 1yya h LEU 237 Cb 0.60 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1yya h LEU 237 CO 0.00 1.32 -0.06 -1.61 0.09 0.00 0.00 178.44 178.18 1yya s GLU 238 N -3.86 4.27 0.24 1.13 0.41 -1.26 -4.97 118.70 114.65 1yya s GLU 238 Ca -0.11 0.47 -0.05 0.00 -0.41 0.00 0.00 54.97 54.87 1yya s GLU 238 Cb 0.08 -3.50 0.40 0.00 -1.78 0.00 0.00 34.13 29.32 1yya s GLU 238 CO 0.88 -0.02 1.78 1.25 -0.49 0.00 0.00 175.26 178.66 1yya h LEU 239 N 7.39 0.51 -1.18 1.80 5.85 -1.93 -0.98 115.31 126.77 1yya h LEU 239 Ca -0.37 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1yya h LEU 239 Cb 1.17 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1yya h LEU 239 CO 0.75 0.28 0.56 -0.33 -0.34 0.00 0.00 178.44 179.35 1yya h GLU 240 N 0.64 1.09 -0.29 1.25 4.39 -1.96 0.11 114.58 119.81 1yya h GLU 240 Ca 0.39 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 1yya h GLU 240 Cb 0.44 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1yya h GLU 240 CO -0.29 0.72 -0.18 1.03 -1.16 0.00 0.00 179.01 179.14 1yya h SER 241 N 1.12 0.65 -0.48 1.42 0.87 -1.54 -1.47 113.55 114.13 1yya h SER 241 Ca 0.31 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1yya h SER 241 Cb -0.10 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1yya h SER 241 CO -0.07 0.94 0.21 0.15 -0.53 0.00 0.00 176.83 177.53 1yya h PHE 242 N 0.37 0.71 -0.92 2.24 3.57 -0.66 -1.71 116.94 120.53 1yya h PHE 242 Ca 0.06 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1yya h PHE 242 Cb 0.71 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1yya h PHE 242 CO 0.06 0.58 0.56 -0.07 -2.23 0.00 0.00 178.31 177.22 1yya h LEU 243 N 0.63 1.10 -0.81 0.59 3.38 -0.73 -1.24 115.31 118.23 1yya h LEU 243 Ca 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1yya h LEU 243 Cb 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1yya h LEU 243 CO -0.02 0.84 0.49 0.00 0.09 0.00 0.00 178.44 179.84 1yya h ALA 244 N 1.35 1.04 -0.52 1.53 0.00 -0.78 -0.21 119.26 121.66 1yya h ALA 244 Ca 0.33 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1yya h ALA 244 Cb -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1yya h ALA 244 CO -0.06 0.51 -0.01 -0.07 0.00 0.00 0.00 179.25 179.61 1yya h LEU 245 N 1.12 0.86 -0.66 0.00 3.38 -0.63 -1.99 115.31 117.38 1yya h LEU 245 Ca 0.29 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1yya h LEU 245 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1yya h LEU 245 CO -0.05 0.93 -0.11 -0.07 0.09 0.00 0.00 178.44 179.23 1yya h LEU 246 N 0.82 0.92 -1.07 1.67 3.38 -0.59 -1.87 115.31 118.57 1yya h LEU 246 Ca 0.15 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1yya h LEU 246 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1yya h LEU 246 CO 0.03 1.04 -0.08 0.03 0.09 0.00 0.00 178.44 179.55 1yya h ARG 247 N 0.83 0.57 -0.55 1.13 3.08 -0.79 -1.02 114.38 117.63 1yya h ARG 247 Ca 0.13 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1yya h ARG 247 Cb 0.64 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1yya h ARG 247 CO 0.04 0.65 -0.03 0.82 -1.07 0.00 0.00 179.97 180.39 1yya h ILE 248 N 0.53 1.26 -0.29 2.04 2.04 -1.02 -2.80 117.51 119.29 1yya h ILE 248 Ca 0.10 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 1yya h ILE 248 Cb 0.46 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1yya h ILE 248 CO 0.02 0.41 -0.27 0.00 0.00 0.00 0.00 178.15 178.31 1yya h ALA 249 N 1.07 1.00 0.00 1.87 0.00 -0.73 -3.48 119.26 118.99 1yya h ALA 249 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yya h ALA 249 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yya h ALA 249 CO 0.03 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.29